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canSAR1685041
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NAMES
    SMILES
    COc1ccc(OC)c(CN2CCC(Cc3ccccc3)CC2)c1.O=C(O)C(=O)O
    InChI
    InChI=1S/C21H27NO2.C2H2O4/c1-23-20-8-9-21(24-2)19(15-20)16-22-12-10-18(11-13-22)14-17-6-4-3-5-7-17;3-1(4)2(5)6/h3-9,15,18H,10-14,16H2,1-2H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C23H29NO6
    CROSS REFERENCES
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    canSAR1685041

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 415.20
    AlogP 3.31
    HBond donors 2
    HBond acceptors 7
    Atoms 59
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1685041.